Reverse Monte Carlo modeling of the structure of colloidal aggregates.

作者: László Pusztai , Hector Dominguez , Orest A Pizio

DOI: 10.1016/J.JCIS.2004.04.041

关键词:

摘要: In this work we present results for the structure of aerogels coming from diffusion-limited cluster aggregation simulation method. Pair distribution functions and factors, resulting simulation, were considered as experimental input reverse Monte Carlo modeling. The modeling yielded structural models with pair factors nearly identical to simulations. Particle configurations both simulations have been analyzed in terms number neighbors. It is suggested that method, when applied factor, may be a suitable technique interpretation scattering data on colloidal aerogels.

参考文章(24)
Marco Lattuada, Hua Wu, Anwar Hasmy, Massimo Morbidelli, Estimation of fractal dimension in colloidal gels Langmuir. ,vol. 19, pp. 6312- 6316 ,(2003) , 10.1021/LA034043F
M. Kolb, R. Botet, R. Jullien, Scaling of Kinetically Growing Clusters Physical Review Letters. ,vol. 51, pp. 1123- 1126 ,(1983) , 10.1103/PHYSREVLETT.51.1123
László Pusztai, Gergely Tóth, On the uniqueness of the Reverse Monte Carlo simulation. I. Simple liquids, partial radial distribution functions Journal of Chemical Physics. ,vol. 94, pp. 3042- 3049 ,(1991) , 10.1063/1.459827
Dorthe Posselt, Jan Skov Pedersen, Kell Mortensen, A SANS investigation on absolute scale of a homologous series of base-catalysed silica aerogels Journal of Non-crystalline Solids. ,vol. 145, pp. 128- 132 ,(1992) , 10.1016/S0022-3093(05)80441-7
Anwar Hasmy, Marie Foret, Jacques Pelous, Rémi Jullien, Small-angle neutron-scattering investigation of short-range correlations in fractal aerogels: Simulations and experiments. Physical Review B. ,vol. 48, pp. 9345- 9353 ,(1993) , 10.1103/PHYSREVB.48.9345
László Pusztai, Hector Dominguez, Orest A. Pizio, Reverse Monte Carlo simulation of the microscopic structure for chemically associating fluids by using experimental data Physica A-statistical Mechanics and Its Applications. ,vol. 316, pp. 65- 76 ,(2002) , 10.1016/S0378-4371(02)01209-8
T. A. Witten, L. M. Sander, Diffusion-limited aggregation, a kinetic critical phenomenon Physical Review Letters. ,vol. 47, pp. 1400- 1403 ,(1981) , 10.1103/PHYSREVLETT.47.1400